2-methyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6H-thiochromeno[3,4-c]quinoline

Systemtic Name: 2-methyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6H-thiochromeno[3,4-c]quinoline Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-6H-thiochromeno[3,4-c]quinoline CAS Name: 2-methyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6H-thiochromeno[3,4-c]quinoline IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-6H-thiochromeno[3,4-c]quinoline Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-6H-thiochromeno[3,4-c]quinoline Formula: C28H28N3S+ MolecularWeight: 438.60702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=C2C4=CC=CC=C4N=C3N5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=C2C4=CC=CC=C4N=C3N5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C28H27N3S/c1-20-11-12-26-23(17-20)27-22-9-5-6-10-25(22)29-28(24(27)19-32-26)31-15-13-30(14-16-31)18-21-7-3-2-4-8-21/h2-12,17H,13-16,18-19H2,1H3/p+1